1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

C16H16ClNO2 — CID 105101170

IUPAC1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESOC(CCc1ccc2c(c1)CCO2)c1ccncc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-10-18-7-5-13(14)15(19)3-1-11-2-4-16-12(9-11)6-8-20-16/h2,4-5,7,9-10,15,19H,1,3,6,8H2
InChIKeyGQVBTEZGGOQFNM-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol

1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (PubChem CID 105101170) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
PubChem CID105101170
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
SMILESOC(CCc1ccc2c(c1)CCO2)c1ccncc1Cl
InChIInChI=1S/C16H16ClNO2/c17-14-10-18-7-5-13(14)15(19)3-1-11-2-4-16-12(9-11)6-8-20-16/h2,4-5,7,9-10,15,19H,1,3,6,8H2
InChIKeyGQVBTEZGGOQFNM-UHFFFAOYSA-N
XLogP3.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
1-(5-amino-1H-pyrazol-4-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445130
1-(2-amino-4-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445879
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
1-(5-chloro-1,3-thiazol-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 107125040
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyrazin-2-ylpropan-1-amine
CID 65446272
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol (CID 105101170) is 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is OC(CCc1ccc2c(c1)CCO2)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
The InChIKey is GQVBTEZGGOQFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-14-10-18-7-5-13(14)15(19)3-1-11-2-4-16-12(9-11)6-8-20-16/h2,4-5,7,9-10,15,19H,1,3,6,8H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol?
1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol has a molecular weight of 289.76 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol is sourced from PubChem (CID 105101170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).